==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JAN-07 2JDR . COMPND 2 MOLECULE: RAC-BETA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.G.DAVIES,M.L.VERDONK,B.GRAHAM,S.SAALAU-BETHELL, . 327 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 1 0 1 0 2 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 146 A K 0 0 216 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 143.8 14.0 17.5 25.4 2 147 A V - 0 0 15 71,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.948 360.0-144.2-121.2 139.3 17.1 15.8 26.8 3 148 A T > - 0 0 56 -2,-0.4 3,-3.1 1,-0.1 4,-0.2 -0.809 23.8-122.0-114.4 145.1 19.2 13.4 24.7 4 149 A M G > S+ 0 0 38 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.924 118.1 52.6 -36.8 -55.3 21.3 10.3 25.2 5 150 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 21,-0.0 3,-0.1 0.098 83.9 82.2 -83.8 26.3 24.2 12.2 23.8 6 151 A D G < S+ 0 0 50 -3,-3.1 21,-3.8 1,-0.1 2,-0.4 0.322 93.8 70.7 -85.7 -0.2 23.7 15.1 26.3 7 152 A F E < S-A 26 0A 0 -3,-1.4 2,-0.3 19,-0.2 19,-0.2 -0.970 71.6-147.4-131.9 126.9 25.6 12.7 28.5 8 153 A D E -A 25 0A 63 17,-2.4 17,-1.4 -2,-0.4 2,-0.8 -0.658 22.7-136.8 -73.8 141.7 29.1 11.3 28.7 9 154 A Y E +A 24 0A 69 -2,-0.3 15,-0.2 15,-0.2 294,-0.1 -0.786 38.3 161.8-106.3 88.0 29.2 7.7 29.9 10 155 A L E + 0 0 48 13,-1.2 2,-0.3 -2,-0.8 14,-0.2 0.902 54.1 0.7 -80.5 -51.9 32.1 7.9 32.4 11 156 A K E -A 23 0A 58 12,-1.7 12,-3.8 291,-0.0 2,-0.9 -0.996 61.3-121.0-149.7 137.7 31.9 4.9 34.8 12 157 A L E +A 22 0A 1 287,-0.6 10,-0.2 289,-0.4 289,-0.2 -0.686 31.1 173.5 -78.8 103.6 29.7 1.8 35.3 13 158 A L E - 0 0 15 -2,-0.9 2,-0.3 8,-0.7 282,-0.3 0.917 64.4 -7.4 -77.5 -47.0 28.3 2.1 38.9 14 159 A G E +A 21 0A 13 7,-2.3 7,-2.9 284,-0.1 2,-0.3 -0.994 57.2 179.9-151.8 156.2 26.0 -0.8 38.8 15 160 A K E +A 20 0A 89 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.980 34.9 65.3-154.3 141.5 24.5 -3.4 36.5 16 161 A G S S+ 0 0 37 3,-3.1 -2,-0.0 -2,-0.3 309,-0.0 -0.980 85.4 10.1 152.1-157.2 22.0 -6.3 36.8 17 162 A T S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.739 130.8 42.5 -14.4 -67.6 18.5 -7.4 37.5 18 163 A F S S- 0 0 73 1,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.979 118.7-103.5 -48.9 -70.9 17.3 -3.8 37.4 19 164 A G - 0 0 15 19,-0.1 -3,-3.1 2,-0.0 2,-0.3 -0.611 55.4 -42.6 175.1-117.9 19.3 -2.6 34.4 20 165 A K E -AB 15 37A 24 17,-0.7 17,-3.0 -5,-0.3 2,-0.4 -0.944 39.5-165.8-151.3 116.4 22.5 -0.5 34.3 21 166 A V E -AB 14 36A 31 -7,-2.9 -7,-2.3 -2,-0.3 -8,-0.7 -0.915 16.2-178.4-106.9 136.6 23.4 2.6 36.3 22 167 A I E -AB 12 35A 4 13,-1.2 13,-2.1 -2,-0.4 2,-0.6 -0.987 33.3-115.9-136.1 138.0 26.3 4.6 35.0 23 168 A L E -AB 11 34A 0 -12,-3.8 -12,-1.7 -2,-0.4 -13,-1.2 -0.702 48.2-179.0 -73.8 119.3 28.0 7.7 36.3 24 169 A V E -AB 9 33A 0 9,-2.8 9,-1.8 -2,-0.6 2,-0.4 -0.750 24.8-138.8-115.5 164.5 27.4 10.3 33.6 25 170 A R E -AB 8 32A 92 -17,-1.4 -17,-2.4 -2,-0.3 2,-0.6 -0.994 21.3-126.2-119.5 138.6 28.2 13.9 32.9 26 171 A E E > -A 7 0A 11 5,-2.6 4,-2.6 -2,-0.4 -19,-0.2 -0.722 16.9-147.1 -77.2 116.8 25.8 16.4 31.4 27 172 A K T 4 S+ 0 0 104 -21,-3.8 -1,-0.1 -2,-0.6 -20,-0.1 0.863 93.1 47.0 -56.5 -39.3 27.6 17.9 28.4 28 173 A A T 4 S+ 0 0 88 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.0 0.998 128.8 17.0 -62.6 -69.6 25.9 21.3 28.9 29 174 A T T 4 S- 0 0 83 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.514 91.0-130.8 -89.4 -9.4 26.3 22.0 32.6 30 175 A G < + 0 0 24 -4,-2.6 -3,-0.1 1,-0.2 -1,-0.0 0.579 55.5 150.3 67.0 10.4 29.0 19.5 33.4 31 176 A R - 0 0 165 -5,-0.2 -5,-2.6 -6,-0.1 2,-0.4 -0.324 43.6-122.3 -73.4 158.2 27.0 18.2 36.3 32 177 A Y E +B 25 0A 46 -7,-0.2 54,-0.5 -3,-0.1 2,-0.3 -0.842 36.1 162.4-109.4 141.3 27.3 14.6 37.4 33 178 A Y E -BC 24 85A 13 -9,-1.8 -9,-2.8 -2,-0.4 2,-0.5 -0.913 38.5-118.3-145.6 166.6 24.4 12.1 37.7 34 179 A A E -BC 23 84A 11 50,-2.5 50,-3.2 -2,-0.3 2,-0.6 -0.974 30.9-160.9-109.8 128.3 23.6 8.5 37.9 35 180 A M E -BC 22 83A 0 -13,-2.1 -13,-1.2 -2,-0.5 2,-0.6 -0.962 8.2-150.6-118.1 116.0 21.5 7.3 34.9 36 181 A K E -BC 21 82A 14 46,-1.6 46,-2.1 -2,-0.6 2,-0.6 -0.750 16.6-160.7 -84.1 121.4 19.5 4.1 35.1 37 182 A I E +BC 20 81A 13 -17,-3.0 -17,-0.7 -2,-0.6 2,-0.4 -0.928 11.6 179.6-113.7 111.9 19.3 2.7 31.6 38 183 A L E - C 0 80A 11 42,-3.0 42,-1.8 -2,-0.6 2,-0.6 -0.891 26.4-129.2-111.9 143.1 16.6 0.2 30.9 39 184 A R E >> - C 0 79A 114 -2,-0.4 4,-1.4 40,-0.2 3,-0.8 -0.822 12.8-143.8 -88.5 120.8 15.8 -1.7 27.6 40 185 A K H 3> S+ 0 0 30 38,-1.4 4,-2.2 -2,-0.6 5,-0.3 0.807 100.5 60.8 -52.1 -34.6 12.0 -1.3 26.7 41 186 A E H 3> S+ 0 0 166 37,-0.6 4,-2.6 1,-0.2 -1,-0.3 0.939 103.6 48.9 -57.6 -48.3 12.2 -4.9 25.3 42 187 A V H <> S+ 0 0 55 -3,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.832 111.8 49.3 -61.1 -36.2 13.2 -6.3 28.7 43 188 A I H < S+ 0 0 9 -4,-1.4 3,-0.3 2,-0.2 -1,-0.2 0.945 115.3 40.1 -74.5 -50.8 10.4 -4.4 30.5 44 189 A I H >< S+ 0 0 86 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.908 109.5 61.1 -62.7 -47.5 7.5 -5.4 28.2 45 190 A A H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.848 111.0 41.5 -45.1 -39.0 8.8 -9.0 27.9 46 191 A K T 3< S- 0 0 125 -4,-1.0 2,-1.6 -3,-0.3 -1,-0.3 0.196 102.2-126.5-102.9 13.5 8.4 -9.3 31.7 47 192 A D S X S+ 0 0 125 -3,-2.1 2,-3.9 1,-0.2 3,-0.9 0.061 80.3 118.0 66.0 -31.1 5.0 -7.5 32.1 48 193 A E T 3> + 0 0 54 -2,-1.6 4,-0.6 1,-0.3 -1,-0.2 -0.231 31.2 112.3 -69.8 59.2 6.8 -5.4 34.7 49 194 A V H 3> + 0 0 15 -2,-3.9 4,-1.0 2,-0.2 -1,-0.3 0.700 68.1 60.9 -97.5 -32.7 6.2 -2.3 32.7 50 195 A A H <> S+ 0 0 59 -3,-0.9 4,-2.6 2,-0.2 -2,-0.1 0.769 104.0 50.6 -66.6 -29.0 3.8 -0.9 35.4 51 196 A H H > S+ 0 0 23 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.925 109.9 48.4 -71.6 -47.8 6.7 -0.9 37.9 52 197 A T H X S+ 0 0 14 -4,-0.6 4,-0.5 1,-0.2 -2,-0.2 0.654 116.8 45.4 -68.4 -16.2 9.1 0.9 35.5 53 198 A V H X S+ 0 0 19 -4,-1.0 4,-2.1 2,-0.1 3,-0.2 0.864 112.6 48.5 -85.6 -48.1 6.2 3.4 35.0 54 199 A T H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.865 104.2 61.1 -63.2 -36.5 5.4 3.7 38.7 55 200 A E H X S+ 0 0 4 -4,-3.1 4,-2.5 95,-0.2 -1,-0.2 0.944 108.0 44.6 -51.8 -48.0 9.0 4.3 39.5 56 201 A S H X S+ 0 0 0 -4,-0.5 4,-1.7 -3,-0.2 -2,-0.2 0.946 111.7 51.2 -63.4 -48.6 8.9 7.4 37.4 57 202 A R H X S+ 0 0 74 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.840 113.8 45.9 -57.5 -35.9 5.6 8.6 38.8 58 203 A V H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 3,-0.3 0.912 110.4 50.3 -75.9 -45.5 6.9 8.3 42.3 59 204 A L H < S+ 0 0 5 -4,-2.5 11,-0.7 -5,-0.3 -2,-0.2 0.750 112.5 51.6 -61.4 -23.9 10.3 9.9 41.6 60 205 A Q H < S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.760 116.0 37.9 -81.2 -30.9 8.2 12.8 40.0 61 206 A N H < S+ 0 0 79 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.270 101.7 83.8-107.6 9.8 5.9 13.3 43.0 62 207 A T < + 0 0 7 -4,-0.7 2,-0.3 -3,-0.1 59,-0.0 -0.936 45.6 177.3-117.2 138.2 8.3 12.8 45.9 63 208 A R + 0 0 114 -2,-0.4 5,-0.1 6,-0.1 6,-0.0 -0.877 23.9 129.8-142.0 109.3 10.7 15.3 47.5 64 209 A H > - 0 0 19 -2,-0.3 3,-1.8 3,-0.3 -2,-0.0 -0.981 59.0-120.3-159.5 140.1 12.8 14.4 50.5 65 210 A P T 3 S+ 0 0 34 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.794 113.5 46.9 -54.1 -29.7 16.5 14.7 51.6 66 211 A F T 3 S+ 0 0 0 47,-0.1 80,-2.8 79,-0.1 2,-0.4 0.325 98.8 81.1-104.7 10.0 16.8 10.9 52.0 67 212 A L B < S-f 146 0B 2 -3,-1.8 -3,-0.3 78,-0.2 2,-0.3 -0.946 90.0-109.4-108.1 135.6 15.2 9.9 48.7 68 213 A T - 0 0 10 78,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.451 37.4-140.2 -55.3 118.6 17.1 10.0 45.4 69 214 A A - 0 0 17 -2,-0.3 16,-2.3 -4,-0.1 2,-0.4 -0.698 9.2-127.1 -87.8 140.0 15.6 12.9 43.5 70 215 A L E -D 84 0A 2 -11,-0.7 14,-0.3 -2,-0.3 3,-0.1 -0.716 22.2-177.5 -87.3 131.0 15.0 12.6 39.7 71 216 A K E S- 0 0 23 12,-3.1 245,-2.2 1,-0.4 2,-0.3 0.898 70.5 -10.3 -91.7 -59.5 16.6 15.3 37.5 72 217 A Y E -DE 83 315A 32 11,-1.2 11,-3.3 243,-0.2 -1,-0.4 -0.988 55.3-168.1-137.6 149.9 15.3 14.2 34.1 73 218 A A E +DE 82 314A 3 241,-2.7 241,-3.4 -2,-0.3 2,-0.3 -0.991 27.0 137.9-131.0 139.3 13.5 11.0 32.7 74 219 A F E -D 81 0A 12 7,-2.0 7,-2.4 -2,-0.3 2,-0.3 -0.904 31.9-130.9-159.2-179.3 13.1 10.3 29.0 75 220 A Q E -D 80 0A 16 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.883 5.1-150.0-140.0 174.3 13.3 7.5 26.3 76 221 A T - 0 0 37 3,-2.0 3,-0.3 -2,-0.3 -73,-0.0 -0.837 51.5 -76.8-133.1 174.1 14.7 6.6 22.9 77 222 A H S S+ 0 0 202 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.394 131.9 15.1 -48.7 2.5 13.6 4.3 20.0 78 223 A D S S+ 0 0 87 1,-0.3 -38,-1.4 -40,-0.1 -37,-0.6 0.485 118.2 52.0-152.5 -19.9 14.8 1.4 22.2 79 224 A R E -C 39 0A 29 -3,-0.3 -3,-2.0 -40,-0.3 2,-0.4 -0.987 53.1-141.8-146.5 139.5 15.3 2.4 25.9 80 225 A L E -CD 38 75A 0 -42,-1.8 -42,-3.0 -2,-0.3 2,-0.3 -0.812 32.4-173.5 -93.3 141.5 13.7 4.0 29.0 81 226 A C E -CD 37 74A 1 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.4 -0.998 20.3-163.0-146.3 142.3 16.1 6.1 31.1 82 227 A F E -CD 36 73A 0 -46,-2.1 -46,-1.6 -2,-0.3 2,-0.5 -0.964 8.2-157.3-118.1 138.8 16.2 8.0 34.5 83 228 A V E +CD 35 72A 0 -11,-3.3 -12,-3.1 -2,-0.4 -11,-1.2 -0.979 26.5 171.6-115.8 120.9 18.8 10.7 35.4 84 229 A M E -CD 34 70A 21 -50,-3.2 -50,-2.5 -2,-0.5 -14,-0.2 -0.849 41.0 -77.3-131.3 158.2 19.0 11.0 39.1 85 230 A E E -C 33 0A 53 -16,-2.3 2,-0.4 -2,-0.3 -52,-0.2 -0.218 54.4-115.2 -53.9 145.0 21.2 12.8 41.7 86 231 A Y - 0 0 21 -54,-0.5 2,-0.8 -53,-0.1 54,-0.3 -0.737 16.1-151.8 -91.9 133.1 24.5 11.0 42.1 87 232 A A > - 0 0 14 -2,-0.4 3,-1.2 52,-0.1 51,-0.2 -0.865 11.5-173.8-105.2 97.8 25.3 9.4 45.5 88 233 A N T 3 S+ 0 0 12 -2,-0.8 205,-0.4 1,-0.2 51,-0.2 0.714 71.7 72.3 -59.7 -25.0 29.2 9.5 45.6 89 234 A G T 3 S- 0 0 0 49,-1.9 -1,-0.2 1,-0.2 50,-0.2 0.428 93.1-134.7 -81.5 -3.3 29.3 7.5 48.9 90 235 A G < - 0 0 0 -3,-1.2 48,-3.3 48,-0.4 2,-0.3 -0.354 39.9 -53.7 79.1-166.1 28.3 4.1 47.5 91 236 A E B >> -G 137 0B 14 202,-0.6 4,-1.4 46,-0.3 3,-0.6 -0.764 42.3-114.7-112.5 161.2 25.8 1.9 49.3 92 237 A L H 3> S+ 0 0 0 44,-2.7 4,-3.6 41,-0.6 5,-0.2 0.773 110.8 64.7 -64.1 -33.2 25.7 0.7 52.9 93 238 A F H 3> S+ 0 0 14 40,-0.6 4,-2.6 43,-0.3 -1,-0.2 0.921 103.8 49.4 -57.1 -44.3 26.1 -2.9 52.0 94 239 A F H <> S+ 0 0 41 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.930 115.6 41.8 -56.9 -50.5 29.6 -2.0 50.7 95 240 A H H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.3 0.911 114.8 50.6 -69.1 -37.0 30.5 -0.1 53.9 96 241 A L H X S+ 0 0 11 -4,-3.6 4,-3.5 1,-0.2 -2,-0.2 0.931 105.4 56.2 -68.1 -48.3 28.9 -2.7 56.2 97 242 A S H < S+ 0 0 48 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.775 114.4 40.5 -41.3 -42.0 30.8 -5.6 54.5 98 243 A R H < S+ 0 0 103 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.866 121.8 39.6 -81.9 -45.2 34.0 -3.9 55.2 99 244 A E H < S- 0 0 82 -4,-2.7 2,-1.9 -5,-0.1 -2,-0.2 0.702 90.6-151.8 -79.7 -19.2 33.2 -2.6 58.7 100 245 A R S < S+ 0 0 180 -4,-3.5 2,-0.3 -5,-0.2 -1,-0.1 -0.239 73.2 12.1 73.5 -47.5 31.4 -5.9 59.5 101 246 A V S S- 0 0 65 -2,-1.9 2,-0.3 99,-0.1 98,-0.2 -0.987 71.6-133.8-151.2 154.3 29.2 -4.0 62.0 102 247 A F - 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